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Crystal structure of di­aqua­bis­(2,6-di­methyl­pyrazine-κN)bis­(thio­cyanato-κN)cobalt(II) 2,5-di­methyl­pyrazine tris­olvate

In the crystal structure of the title compound, [Co(NCS)(2)(C(6)H(8)N(2))(2)(H(2)O)(2)]·3C(6)H(8)N(2), the Co(II) cation is coordinated by two terminally N-bound thio­cyanate anions, two water mol­ecules and two 2,6-di­methyl­pyrazine ligands, forming a discrete complex with a slightly distorted oct...

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Autores principales: Suckert, Stefan, Wöhlert, Susanne, Jess, Inke, Näther, Christian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719868/
https://www.ncbi.nlm.nih.gov/pubmed/26870459
http://dx.doi.org/10.1107/S2056989015024184
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author Suckert, Stefan
Wöhlert, Susanne
Jess, Inke
Näther, Christian
author_facet Suckert, Stefan
Wöhlert, Susanne
Jess, Inke
Näther, Christian
author_sort Suckert, Stefan
collection PubMed
description In the crystal structure of the title compound, [Co(NCS)(2)(C(6)H(8)N(2))(2)(H(2)O)(2)]·3C(6)H(8)N(2), the Co(II) cation is coordinated by two terminally N-bound thio­cyanate anions, two water mol­ecules and two 2,6-di­methyl­pyrazine ligands, forming a discrete complex with a slightly distorted octa­hedral N(4)O(2) coordination environment. The asymmetric unit contains one Co(II) cation and three halves of 2,5-di­methyl­pyrazine solvate mol­ecules, all entities being completed by inversion symmetry, as well as one thio­cyanate anion, an aqua ligand and a 2,6-di­methyl­pyrazine ligand, all in general positions. In the crystal, discrete complexes are arranged in a way that cavities are formed where the noncoordinating 2,5-di­methyl­pyrazine mol­ecules are located. The coordination of the latter to the metal is prevented due to the bulky methyl groups in vicinal positions to the N atoms, leading to a preferential coordination through the 2,6-di­methyl­pyrazine ligands. The complex mol­ecules are linked by O—H⋯N hydrogen bonds between the water H atoms and the N atoms of 2,5-di­methyl­pyrazine solvent mol­ecules, leading to a layered structure extending parallel to (100).
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spelling pubmed-47198682016-02-11 Crystal structure of di­aqua­bis­(2,6-di­methyl­pyrazine-κN)bis­(thio­cyanato-κN)cobalt(II) 2,5-di­methyl­pyrazine tris­olvate Suckert, Stefan Wöhlert, Susanne Jess, Inke Näther, Christian Acta Crystallogr E Crystallogr Commun Data Reports In the crystal structure of the title compound, [Co(NCS)(2)(C(6)H(8)N(2))(2)(H(2)O)(2)]·3C(6)H(8)N(2), the Co(II) cation is coordinated by two terminally N-bound thio­cyanate anions, two water mol­ecules and two 2,6-di­methyl­pyrazine ligands, forming a discrete complex with a slightly distorted octa­hedral N(4)O(2) coordination environment. The asymmetric unit contains one Co(II) cation and three halves of 2,5-di­methyl­pyrazine solvate mol­ecules, all entities being completed by inversion symmetry, as well as one thio­cyanate anion, an aqua ligand and a 2,6-di­methyl­pyrazine ligand, all in general positions. In the crystal, discrete complexes are arranged in a way that cavities are formed where the noncoordinating 2,5-di­methyl­pyrazine mol­ecules are located. The coordination of the latter to the metal is prevented due to the bulky methyl groups in vicinal positions to the N atoms, leading to a preferential coordination through the 2,6-di­methyl­pyrazine ligands. The complex mol­ecules are linked by O—H⋯N hydrogen bonds between the water H atoms and the N atoms of 2,5-di­methyl­pyrazine solvent mol­ecules, leading to a layered structure extending parallel to (100). International Union of Crystallography 2015-12-24 /pmc/articles/PMC4719868/ /pubmed/26870459 http://dx.doi.org/10.1107/S2056989015024184 Text en © Suckert et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Suckert, Stefan
Wöhlert, Susanne
Jess, Inke
Näther, Christian
Crystal structure of di­aqua­bis­(2,6-di­methyl­pyrazine-κN)bis­(thio­cyanato-κN)cobalt(II) 2,5-di­methyl­pyrazine tris­olvate
title Crystal structure of di­aqua­bis­(2,6-di­methyl­pyrazine-κN)bis­(thio­cyanato-κN)cobalt(II) 2,5-di­methyl­pyrazine tris­olvate
title_full Crystal structure of di­aqua­bis­(2,6-di­methyl­pyrazine-κN)bis­(thio­cyanato-κN)cobalt(II) 2,5-di­methyl­pyrazine tris­olvate
title_fullStr Crystal structure of di­aqua­bis­(2,6-di­methyl­pyrazine-κN)bis­(thio­cyanato-κN)cobalt(II) 2,5-di­methyl­pyrazine tris­olvate
title_full_unstemmed Crystal structure of di­aqua­bis­(2,6-di­methyl­pyrazine-κN)bis­(thio­cyanato-κN)cobalt(II) 2,5-di­methyl­pyrazine tris­olvate
title_short Crystal structure of di­aqua­bis­(2,6-di­methyl­pyrazine-κN)bis­(thio­cyanato-κN)cobalt(II) 2,5-di­methyl­pyrazine tris­olvate
title_sort crystal structure of di­aqua­bis­(2,6-di­methyl­pyrazine-κn)bis­(thio­cyanato-κn)cobalt(ii) 2,5-di­methyl­pyrazine tris­olvate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719868/
https://www.ncbi.nlm.nih.gov/pubmed/26870459
http://dx.doi.org/10.1107/S2056989015024184
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